ChemSpider 2D Image | 2-[(2S,3R,4S,5R)-5-{[(Cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxytetrahydro-2-furanyl]-N-isopropylacetamide | C17H31N3O5

2-[(2S,3R,4S,5R)-5-{[(Cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxytetrahydro-2-furanyl]-N-isopropylacetamide

  • Molecular FormulaC17H31N3O5
  • Average mass357.445 Da
  • Monoisotopic mass357.226379 Da
  • ChemSpider ID21387020

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-[(2S,3R,4S,5R)-5-{[(Cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxytetrahydro-2-furanyl]-N-isopropylacetamid [German] [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-5-{[(Cyclohexylcarbamoyl)amino]methyl}-3,4-dihydroxytetrahydro-2-furanyl]-N-isopropylacetamide [ACD/IUPAC Name]
2-[(2S,3R,4S,5R)-5-{[(Cyclohexylcarbamoyl)amino]méthyl}-3,4-dihydroxytétrahydro-2-furanyl]-N-isopropylacétamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 673.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±6.0 kJ/mol
Flash Point: 361.2±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.04
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.67
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.67
Polar Surface Area: 120 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 292.4±5.0 cm3

Click to predict properties on the Chemicalize site


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